Orientinine
AlkaPlorer ID: AK075194
Synonym: '7,11,14-Trihydroxy-2,13-dioxohetisane', '(+)-Orientinine'
IUPAC Name: (1S,5S,8S,9R,11R,14S,15S,16R,17R,18S,19R)-9,15,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10-dione
Structure
SMILES: C=C1C[C@@]23[C@H](O)[C@H]4[C@@H]5[C@]6(C)CC(=O)C[C@@]57[C@@H]2[C@@H](O)[C@@H]1C(=O)[C@]3(O)[C@H]7N4C6
InChI: InChI=1S/C20H23NO5/c1-7-3-19-13-11(23)9(7)14(24)20(19,26)16-18(13)5-8(22)4-17(2)6-21(16)10(12(17)18)15(19)25/h9-13,15-16,23,25-26H,1,3-6H2,2H3/t9-,10-,11+,12-,13+,15-,16+,17-,18+,19+,20+/m1/s1
InChIKey: FMIFAABVMYNFTI-OZROLSLXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum orientale | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.40600000000006
TPSA？: 98.07
MolLogP？: -0.7339
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|